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Updated: Mar 18, 2026

Covalent Fragment Screening Using the Quantitative Irreversible Tethering Assay
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量子化学ベースのプロトコルで,共電性阻害剤の合理的な設計

Tanja Schirmeister1, Jochen Kesselring1, Sascha Jung1

  • 1Institut für Pharmazie und Biochemie, Johannes Gutenberg Universität Mainz , Staudinger Weg 5, 55128 Mainz, Germany.

Journal of the American Chemical Society
|June 28, 2016
PubMed
まとめ

カスタム化された共性阻害剤を設計する 構造ベースの方法を開発しました このアプローチは量子力学と分子シミュレーションを使用して 最適な弾頭を選び 認識ユニットを最適化し ロドセインの阻害剤を成功裏に作成します

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